(2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide

C20H21N3O4 — CID 142155244

IUPAC(2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide
SMILESO=CCNC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H21N3O4/c24-13-11-21-18(25)17-10-3-4-12-23(17)20(27)19(26)22-16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-9,13,17H,3-4,10-12H2,(H,21,25)(H,22,26)/t17-/m0/s1
InChIKeyUJYHSGJUCOHCTQ-KRWDZBQOSA-N
MW367.40 g/mol
LogP1.47
Rot. Bonds4

About (2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide

(2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide (PubChem CID 142155244) has the molecular formula C20H21N3O4 and a molecular weight of 367.40 g/mol. Its IUPAC name is (2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide
PubChem CID142155244
Molecular FormulaC20H21N3O4
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name(2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide
SMILESO=CCNC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H21N3O4/c24-13-11-21-18(25)17-10-3-4-12-23(17)20(27)19(26)22-16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-9,13,17H,3-4,10-12H2,(H,21,25)(H,22,26)/t17-/m0/s1
InChIKeyUJYHSGJUCOHCTQ-KRWDZBQOSA-N
XLogP1.47
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpiperidin-1-yl)-N-naphthalen-1-yl-2-oxoacetamide
CID 108523375
1-amino-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 10015912
2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4097803
1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide
CID 163643584
N-cyclododecyl-N'-naphthalen-1-yloxamide
CID 108517411
2-morpholin-4-yl-N-naphthalen-1-yl-2-oxoacetamide
CID 7333640
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 992693
trans-(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 823443
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 47336165
2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]piperidin-1-yl]-N-naphthalen-1-ylacetamide
CID 124744377
2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide
CID 119050828

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide (CID 142155244) is (2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide is O=CCNC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of (2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide?
The InChIKey is UJYHSGJUCOHCTQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-13-11-21-18(25)17-10-3-4-12-23(17)20(27)19(26)22-16-9-5-7-14-6-1-2-8-15(14)16/h1-2,5-9,13,17H,3-4,10-12H2,(H,21,25)(H,22,26)/t17-/m0/s1.
What are the key properties of (2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide?
(2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(naphthalen-1-ylamino)-2-oxoacetyl]-N-(2-oxoethyl)piperidine-2-carboxamide is sourced from PubChem (CID 142155244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).